(1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate

C15H27NO5S — CID 58283248

IUPAC(1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
SMILESCC1(OC(=O)COCCN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C15H27NO5S/c1-15(5-3-2-4-6-15)21-14(17)13-20-10-7-16-8-11-22(18,19)12-9-16/h2-13H2,1H3
InChIKeyWXNBITQEIYOFLR-UHFFFAOYSA-N
MW333.45 g/mol
LogP1.00
Rot. Bonds6

About (1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate

(1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate (PubChem CID 58283248) has the molecular formula C15H27NO5S and a molecular weight of 333.45 g/mol. Its IUPAC name is (1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate.

Molecular Properties

Compound Name(1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
PubChem CID58283248
Molecular FormulaC15H27NO5S
Molecular Weight333.45 g/mol
Exact Mass333.16
IUPAC Name(1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate
SMILESCC1(OC(=O)COCCN2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C15H27NO5S/c1-15(5-3-2-4-6-15)21-14(17)13-20-10-7-16-8-11-22(18,19)12-9-16/h2-13H2,1H3
InChIKeyWXNBITQEIYOFLR-UHFFFAOYSA-N
XLogP1.00
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate?
The IUPAC name of (1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate (CID 58283248) is (1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate.
What is the SMILES notation for (1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate?
The canonical SMILES for (1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate is CC1(OC(=O)COCCN2CCS(=O)(=O)CC2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate?
The InChIKey is WXNBITQEIYOFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5S/c1-15(5-3-2-4-6-15)21-14(17)13-20-10-7-16-8-11-22(18,19)12-9-16/h2-13H2,1H3.
What are the key properties of (1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate?
(1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate has a molecular weight of 333.45 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]acetate is sourced from PubChem (CID 58283248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).